Spektraris NMR
1-Hydroxydesacetylplectranthone
Common Name: 1-Hydroxydesacetylplectranthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O5/c1-9(2)12-5-6-17(8-18)14(15(12)22-11(4)19)10(3)7-13(20)16(17)21/h7,9,12,14-16,18,21H,5-6,8H2,1-4H3/t12-,14-,15+,16?,17-/m0/s1
InChIKey: InChIKey=GDIMFMHJSYJPJN-JDACHINLSA-N
Formula: C17H26O5
Molecular Weight: 310.385994
Exact Mass: 310.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Orabi, K.Y. J Nat Prod (2000) 63, 1709-11
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 78.5 |
| 2 (C) | 197.8 |
| 3 (CH) | 125.5 |
| 4 (C) | 162.6 |
| 5 (CH) | 42.4 |
| 6 (CH) | 72.5 |
| 7 (CH) | 43.3 |
| 8 (CH2) | 21.3 |
| 9 (CH2) | 25.2 |
| 10 (C) | 43.7 |
| 11 (CH) | 28.7 |
| 12 (CH3) | 22.4 |
| 13 (CH3) | 21.3 |
| 14 (CH2) | 68.1 |
| 15 (CH3) | 24.2 |
| 6a (C) | 171 |
| 6b (CH3) | 21.7 |
